============================================================================= SHIFTS, version 4.1 [X.-P. Xu and D.A. Case, Mar. 2002] ============================================================================= shifts will be computed for atoms matching ::H* found 8 rings ring int. center anis. iso. PHE 6 1.000 12.780 36.079 30.357 -99.200 -91.000 PHE 14 1.000 4.638 32.772 26.739 -99.200 -91.000 PHE 19 1.000 1.902 40.002 40.059 -99.200 -91.000 PHE 40 1.000 -0.712 41.472 30.221 -99.200 -91.000 PHE 89 1.000 8.308 29.637 39.009 -99.200 -91.000 TYR 102 0.840 16.002 48.231 38.597 -99.200 -91.000 TRP 111 1.040 8.379 26.980 29.947 -99.200 -91.000 TRP6 111 1.020 9.657 28.958 30.263 -99.200 -91.000